2-(difluoromethoxymethyl)-3,3-dimethylbutan-1-amine

C8H17F2NO — CID 84718528

IUPAC2-(difluoromethoxymethyl)-3,3-dimethylbutan-1-amine
SMILESCC(C)(C)C(CN)COC(F)F
InChIInChI=1S/C8H17F2NO/c1-8(2,3)6(4-11)5-12-7(9)10/h6-7H,4-5,11H2,1-3H3
InChIKeyXCRDCILQBGLQIK-UHFFFAOYSA-N
MW181.23 g/mol
LogP1.85
Rot. Bonds4

About 2-(difluoromethoxymethyl)-3,3-dimethylbutan-1-amine

2-(difluoromethoxymethyl)-3,3-dimethylbutan-1-amine (PubChem CID 84718528) has the molecular formula C8H17F2NO and a molecular weight of 181.23 g/mol. Its IUPAC name is 2-(difluoromethoxymethyl)-3,3-dimethylbutan-1-amine.

Molecular Properties

Compound Name2-(difluoromethoxymethyl)-3,3-dimethylbutan-1-amine
PubChem CID84718528
Molecular FormulaC8H17F2NO
Molecular Weight181.23 g/mol
Exact Mass181.13
IUPAC Name2-(difluoromethoxymethyl)-3,3-dimethylbutan-1-amine
SMILESCC(C)(C)C(CN)COC(F)F
InChIInChI=1S/C8H17F2NO/c1-8(2,3)6(4-11)5-12-7(9)10/h6-7H,4-5,11H2,1-3H3
InChIKeyXCRDCILQBGLQIK-UHFFFAOYSA-N
XLogP1.85
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.23
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethoxymethyl)-3,3-dimethylbutan-1-amine?
The IUPAC name of 2-(difluoromethoxymethyl)-3,3-dimethylbutan-1-amine (CID 84718528) is 2-(difluoromethoxymethyl)-3,3-dimethylbutan-1-amine.
What is the SMILES notation for 2-(difluoromethoxymethyl)-3,3-dimethylbutan-1-amine?
The canonical SMILES for 2-(difluoromethoxymethyl)-3,3-dimethylbutan-1-amine is CC(C)(C)C(CN)COC(F)F.
What is the InChIKey of 2-(difluoromethoxymethyl)-3,3-dimethylbutan-1-amine?
The InChIKey is XCRDCILQBGLQIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17F2NO/c1-8(2,3)6(4-11)5-12-7(9)10/h6-7H,4-5,11H2,1-3H3.
What are the key properties of 2-(difluoromethoxymethyl)-3,3-dimethylbutan-1-amine?
2-(difluoromethoxymethyl)-3,3-dimethylbutan-1-amine has a molecular weight of 181.23 g/mol, XLogP of 1.85, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethoxymethyl)-3,3-dimethylbutan-1-amine is sourced from PubChem (CID 84718528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).